Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6667366 | 0.78 | MEN1 (0.47) | ALDH1A1SMN1; SMN2MAPTGAAKMT2A | |
| SCHEMBL5054981 | 0.72 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2MAPTGAAKMT2A | |
| SCHEMBL6664309 | 0.71 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2THRBMAPTGAA | |
| SCHEMBL3427187 | 0.70 | THRB (0.63) | ALDH1A1SMN1; SMN2THRBFAAHKMT2A | |
| SCHEMBL10662740 | 0.67 | LMNA (0.67) | ALDH1A1SMN1; SMN2MAPTGAAKMT2A | |
| SCHEMBL12885024 | 0.66 | KDM4E (0.69) | ALDH1A1SMN1; SMN2THRBKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL11727828 | 0.66 | HTT (0.46) | ALDH1A1SMN1; SMN2MAPTGAAKMT2A | |
| SCHEMBL6836303 | 0.66 | THRB (0.71) | ALDH1A1THRBFAAHMAPTKMT2A | |
| SCHEMBL4985390 | 0.65 | SIGMAR1 (0.64) | THRBFAAH | |
| SCHEMBL3973713 | 0.65 | MAPT (0.58) | ALDH1A1SMN1; SMN2MAPTGAAKMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1446110-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | Structural Bioinformatics Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003032916-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | STRUCTURAL BIOINFORMATICS INC. (US) | 2003-04-24 | — | — | WO | disclosed |